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Online since: January 2012
Authors: Wan Zhong Yin, Qiang Li, Ying Qiang Ma, Xi Mei Luo, Ming Bao Liu
Study on Effect of Lizardite Crystal Chemistry on Surface Properties and Flotability Qiang Li1,a, Wanzhong Yin2,b , Mingbao Liu2,c, Yingqiang Ma2,d and Ximei Luo2,e 1Institute of Mining Technology, Liaoning Technical University, Fuxin, Liaoning, P.R.
In the paper, based on the mineral crystal structure, chemical bond and dissolved components of lizardite was calculated.
The Crystal Structure of Lizardite(Mg6[Si4O10](OH)8).
Lizardite is a plate structure, the disharmony was overcomed by modulation of the interioratomic positions.
Lizardite crystal structure was shown in Figure 2.
Online since: February 2013
Authors: Jiu Li
Multiscale Modeling Techniques Based On Molecular Structure and Elastic Properties LI Jiu1,a 1Dongguan University of Technology, Dongguan, 523808, China aemail:sxj_jing113@163.com Keywords: Multi-Scale Simulation; Molecular Dynamics; Computational Chemistry; Polymer Materials Abstract: Based on the principle of using atomistic force field, and the use of ultra-flexible multi-scale modeling techniques to predict the polycarbonate and polyimide polymer molecular structure and the elastic properties of the system.
Formulate the constitutive equations, requires a combination of the molecular structure of the polymer materials modeling and reliable structure and performance of the system to establish the constitutive equation.
Model of the molecular structure of force field analysis The polymer material before and after the deformation, for the molecular structure of a given polymer material under the force field is created, may be used separately to the MM and MD technology to implement static or dynamic molecular simulation technique.
This process, in the coarse-grained structure links the vector model the each polyimide stars included in the polyimide main chain of the rigid ring structure shown in Figure 3 for showing.
Figure 4 and Figure 5 analog polymer material structure.
Online since: July 2014
Authors: Cui Cui Du, Tong Shuo Zhang, Tian Fu Gao, Ren Zhong Huang
Li4BN3H10 is a body-centered cubic structure with space group I213.
Kojima: The Journal of Physical Chemistry C, Vol. 115(2010), p. 589-593
Meyer: The Journal of Physical Chemistry C, Vol. 113(2009), p. 11172-11176
Majzoub: Journal of Materials Chemistry A, Vol. 1(2013), p. 3926-3931
Udovic, et al.: Chemistry of Materials, Vol. 20(2008), p.1245-1247
Online since: July 2012
Authors: Su Xi Wu, Rui Xin Liu, Hui Li
Comparison of Composition and Structure of Palm Oil with Lard Suxi Wu1, a, Ruixin Liu1, b , Hui Li 2, c 1 School of Chemistry and Biological Engineering, Changsha University of Science and Technology, Changsha 410114, China; 2 Palm Oil Research and Technical Service Institute of Malaysia, Shanghai 201108,China awusuxi@126.com, bliurx8@163.com, cbingye125@yahoo.com.cn Key words: palm oil, palm stearin, palm olein, lard, fatty acid composition, triglyceride structure Abstract: In order to confirm the substitutability of palm oil for lard, the fatty acid composition and their distribution at the Sn-2 position of triglycerides in three kinds of palm oil products and five kinds of lard products were investigated.
It can be predicted that, with people’s better understanding upon composition, structure and function of palm oil, palm oil will inevitably replace lard and be widely applied in the family cooking and food industry.
Xu, in: Oil Chemistry, edited by China Commercial Press in Chinese(1993), p. 293
Chen, in Oil Chemistry, edited by Chemical Industry Press in Chinese(2004), p. 27
Tang, in: Oil Chemistry, edited by Jiangxi Science and Technology Press(1985), p. 197.
Online since: March 2015
Authors: Yong Quan Guo, Xiao Meng Nie
The diffraction peaks could be indexed as a tetragonal structure with TREOR program.
Based on the structural refined results, the typical crystal structure of CuInTe2 is drawn in Fig.4.
XRD analyses show that CuIn1-xSmxTe2(x=0,0.1,0.2,0.3) crystallize in a tetragonal chalcopyrite structure (space group I-42d).
Pal:Materials Chemistry and Physics. 77(2002), p. 365–376 [2] M.R.
Shaban:Materials Chemistry and Physics. 147 (2014) ,p. 439-442 [5] O.
Online since: April 2009
Authors: Bing Chu Mei, Xin Min Min, Gang Xu
DFT-DVM method can be used to calculate larger structure models of molecules, clusters and solids, so it has been widely used in chemistry, physics, material science an so on[7-8].
The space group of Ti2AlC is D46hP63/mmc [9], and it has the periodic layered structure.
TiB2 is with P6/mmm space group, and also has the layer structure.
Both of Ti2AlC and TiB2 have the layer structure, moreover, their crystal plane (001) have the same structure of Ti6 hexagon with a center Ti(such as Fig. 1), and the difference of Ti-Ti bond length is only about 1%.
Chen: The Method of Density Function and Discrete Variation Used in Chemistry and Material Physics (Science Press, Beijing 1998)
Online since: April 2014
Authors: M. Zubair Iqbal, Quan Shui Li, Yan Zhen Lu, Mei Xu, Zhi Yuan Wang, Feng Ping Wang, Ming Yan Li, Qurat Ul Ain Javed
Through careful examination, a third layer seems to exist, indicating the as-prepared product is three layered structure.
Varadan: Materials Chemistry and Physics, Vol. 91 (2005) No.2-3, p.274
Zhao: Chemistry of Materials, Vol. 18 (2006) No.5, p.1347
Cao: The Journal of Physical Chemistry C, Vol. 111 (2007) No.38, p.14067
Ahmad: The Journal of Physical Chemistry C, Vol. 115 (2011) No.26, p.13088
Online since: October 2016
Authors: Habib Nasir, Syed Sajid Ali Shah
Graphite has a perfect structure, having a series of stacked parallel layer planes with trigonal sp2 bonding.
By heating Ni/GO/SiO2 structure at 800oC under high vacuum for 6 min resulted in the reduction of Go.
However, the crystalline structure, on the whole, remained unchanged.
Shanmugharaj, Materials Chemistry and Physics, 2014. 146(3): p. 478-486
Wang, Journal of Physical Chemistry C, 2010. 114(27): p. 11829-11834
Online since: February 2012
Authors: Hong Bing Ji, Ye Zhang
Preparation of ZnF2 Nano-particles by Electrochemical Anodization Method Ye Zhang1,a, Hongbing Ji2,b 1College of Chemistry and Life Science, Guangdong University of Petrochemical Technology, Maoming 525000, China 2School of Chemistry and Chemical Engineering , Sun Yat-sen University, Guangzhou 510275, China azhangye2003@126.com, bjihb@mail.sysu.edu.cn Keywords: ZnF2 nano-particles, electrochemical, anodization Abstract.
The crystalline structure of the anodization products were characterized by an X-ray diffractometer (XRD, D-MAX2200VPC).
Crystalline structure.
This work was also supported by the School of Chemistry and Chemical Engineering, Sun Yat-sen University, Guangzhou, China.
Hagenmuller: Inorganic solid fluorides-chemistry and physics[M], New York: Academic Press Inc (1985) [2] S.
Online since: August 2010
Authors: Ke Gao Liu, Bin Xu, Ya Liu
The Ni atom with 3d 84s2 valence electronic structure has abundant valence electrons.
The products obtained at 200 and 220 °C are single-phase Ni0.85Se and show hollow structures.
Tang, Journal of Physics and Chemistry of Solids, Vol. 69, Issues 5-6, May-June 2008, p.1342-1345
Li, J.Y Wang: Journal of Solid State Chemistry 177 (2004) , p.4001-4006 [10] H.
Qiu, J. et al: Chemistry Letters Vol.33, No.7 (2004), p.852-853